LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
about
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.Computational investigation of O2 diffusion through an intra-molecular tunnel in AlkB; influence of polarization on O2 transport.TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field.Mapping the Drude polarizable force field onto a multipole and induced dipole model.Computational Simulations of DNA Polymerases: Detailed Insights on Structure/Function/Mechanism from Native Proteins to Cancer Variants.Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields.
P2860
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P2860
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
description
2016 nî lūn-bûn
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2016年の論文
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2016年論文
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2016年論文
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2016年論文
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2016年論文
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2016年论文
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2016年论文
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name
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
@ast
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
@en
type
label
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
@ast
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
@en
prefLabel
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
@ast
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
@en
P2860
P50
P356
P1476
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields
@en
P2093
Eric G Kratz
G Andrés Cisneros
P2860
P304
P356
10.1002/JCC.24295
P577
2016-01-18T00:00:00Z